Application of a property prediction model based on the structure oriented lumping method in the fluid catalytic cracking process

• Published in: Chemical engineering science 2024-07, Vol.293, p.120066, Article 120066
• Main Authors: Qin, Xinglong, Hou, Lixin, Ye, Lei, Wang, Tianxiao, Pu, Xin, Han, Xin, Jiang, Peng, Liu, Jichang, Huang, Shaokai
• Format: Article
• Language: English
• Subjects: Diesel; Fluid catalytic cracking; Gasoline; Property prediction model; Structure oriented lumping
• ISSN: 0009-2509
• DOI: 10.1016/j.ces.2024.120066

•A model for predicting molecular properties was built based on the SOL method.•Molecular properties were calculated accurately by the property prediction model.•Property prediction model was applied to the simulation of FCC process.•The effects of FCC reaction temperature on the properties of products were studied. Based on the Structure Oriented Lumping (SOL) method and the Artificial Neural Network (ANN) algorithm, a SOL-ANN property prediction model was constructed to predict the properties of molecules and products in the fluid catalytic cracking (FCC) process. The properties of each structural vector in the molecular composition matrices of gasoline and diesel were calculated. The influences of reaction temperature on the properties of gasoline and diesel were investigated from the perspective of molecular composition. When the reaction temperature increased from 490 °C to 510 °C, the content of aromatics and olefins in gasoline and the content of aromatics in diesel increased, resulting in the research octane number (RON) of gasoline increasing by 2.96 units and the cetane number (CN) of diesel decreasing by 1.37 units. Using the molecular composition information of products to calculate the properties of molecules and products could guide the product quality evaluation and process optimization.